pyridine-4-carboximidamide hydrochloride

• ChemBase ID: 16157
• Molecular Formular: C6H8ClN3
• Molecular Mass: 157.60082
• Monoisotopic Mass: 157.04067495
• SMILES: C(=N)(c1ccncc1)N.Cl
• Canonical SMILES: NC(=N)c1ccncc1.Cl
• InChI: InChI=1S/C6H7N3.ClH/c7-6(8)5-1-3-9-4-2-5;/h1-4H,(H3,7,8);1H
• InChIKey: IONKMFGAXKCLMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-4-carboximidamide hydrochloride
• IUPAC Traditional name: pyridine-4-carboximidamide hydrochloride
• Synonyms: pyridine-4-carboximidamide hydrochloride; 4-Amidinopyridine hydrochloride; Isonicotinamidine hydrochloride; Pyridine-4-carboximidamide hydrochloride; 4-Amidinopyridine hydrochloride; IsonicotiniMidaMide hydrochloride; 4-脒基吡啶盐酸盐

Database IDs

• CAS Number: 6345-27-3; 42518-06-9
• EC Number: 000-000-0
• MDL Number: MFCD00040385
• Beilstein Number: 3562678
• PubChem SID: 160979464
• PubChem CID: 2776844

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7387516
• LogD (pH = 7.4): -2.6876414
• Log P: -0.32395813
• Molar Refractivity: 45.5736 cm^3
• Polarizability: 13.118638 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 245°C dec.
• Hydrophobicity(logP): -0.327

Safety Information

• Storage Warning: Hygroscopic; IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 98%; 98+%